SCHEMBL4874101

SCHEMBL4874101

O=c1ccc(Cc2ccc(F)cc2F)cn1-c1c(Cl)cccc1Cl

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 2/20 0.42
MAPK14 Q16539 11/20 0.42
MAPK13 O15264 3/20 0.39
MAPK12 P53778 3/20 0.39
MAPK11 Q15759 3/20 0.39
CHRM5 P08912 1/20 0.38
HTR2A P28223 2/20 0.38
HTR2C P28335 2/20 0.38
PTGDR2 Q9Y5Y4 1/20 0.36
P2RX7 Q99572 2/20 0.36
TP53 P04637 1/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL375227 0.75 TP53 (0.41) P2RX7TP53
SCHEMBL4877819 0.74 MAPK14 (0.49) MAPK14MAPK13MAPK12MAPK11
SCHEMBL4874499 0.70 ALDH1A1 (0.42) MAPK14MAPK13MAPK12MAPK11P2RX7
SCHEMBL898813 0.69 CHRNA7 (0.39) CHRNA7MAPK14CHRM5HTR2AHTR2C
SCHEMBL4876311 0.69 MAPK14 (0.39) MAPK14MAPK13MAPK12MAPK11P2RX7
SCHEMBL4876893 0.69 MAPK14 (0.41) MAPK14MAPK13MAPK12MAPK11
SCHEMBL4876898 0.69 MAPK14 (0.41) MAPK14MAPK13MAPK12MAPK11
SCHEMBL4876312 0.69 MAPK14 (0.39) MAPK14MAPK13MAPK12MAPK11P2RX7
SCHEMBL4875008 0.68 MAPK14 (0.39) CHRNA7MAPK14MAPK13MAPK12MAPK11
SCHEMBL4924074 0.68 MAPK14 (0.41) MAPK14MAPK13MAPK12MAPK11P2RX7

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080081825-A1 Nitrogen-Containing Heterocyclic Compounds and Medicinal Use Thereof ONO PHARMACEUTICAL CO., LTD. (JP) 2008-04-03 US disclosed
EP-1741702-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUNDS AND MEDICINAL USE THEREOF ONO PHARMACEUTICAL CO., LTD. (JP) 2007-01-10 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20080081825-A1 Nitrogen-Containing Heterocyclic Compounds and Medicinal Use Thereof MAPK1, NOS1, NOS2 CHRNA7 4146/4885MAPK14 13/4885MAPK13 12/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.